N,N-dibutyl-6-nitropyridin-3-amine

C13H21N3O2 — CID 164526082

IUPACN,N-dibutyl-6-nitropyridin-3-amine
SMILESCCCCN(CCCC)c1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C13H21N3O2/c1-3-5-9-15(10-6-4-2)12-7-8-13(14-11-12)16(17)18/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyJIWITTQCYRNOHZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.40
Rot. Bonds8

About N,N-dibutyl-6-nitropyridin-3-amine

N,N-dibutyl-6-nitropyridin-3-amine (PubChem CID 164526082) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N,N-dibutyl-6-nitropyridin-3-amine.

Molecular Properties

Compound NameN,N-dibutyl-6-nitropyridin-3-amine
PubChem CID164526082
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN,N-dibutyl-6-nitropyridin-3-amine
SMILESCCCCN(CCCC)c1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C13H21N3O2/c1-3-5-9-15(10-6-4-2)12-7-8-13(14-11-12)16(17)18/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyJIWITTQCYRNOHZ-UHFFFAOYSA-N
XLogP3.40
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[ethyl-(6-nitro-3-pyridinyl)amino]-2-methylpropanoic acid
CID 62818388
N,N-dibutyl-3-nitroaniline;hydrochloride
CID 163332973
N'-benzyl-N'-(6-nitro-3-pyridinyl)ethane-1,2-diamine
CID 106511813
N,N-dibutyl-4-[(4-nitrophenyl)diazenyl]aniline
CID 2818364
2-[(6-nitro-3-pyridinyl)-prop-2-ynylamino]acetic acid
CID 79273384
N-methyl-N-(4-methylsulfanylbutan-2-yl)-6-nitropyridin-3-amine
CID 75385737
N,N-dibutyl-3-ethyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]aniline
CID 163907954
N-butyl-N-ethyl-3-iodo-4-nitroaniline
CID 106493796
6-[(1R)-1-aminopropyl]-N,N-dibutylpyridin-3-amine
CID 103936956
2-[(6-amino-3-pyridinyl)-butylamino]ethanol
CID 61444320
N-butyl-N-(4-nitrophenyl)pyridin-4-amine
CID 125493735
N-(2-ethylhexyl)-6-nitropyridin-3-amine
CID 103614336

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-6-nitropyridin-3-amine?
The IUPAC name of N,N-dibutyl-6-nitropyridin-3-amine (CID 164526082) is N,N-dibutyl-6-nitropyridin-3-amine.
What is the SMILES notation for N,N-dibutyl-6-nitropyridin-3-amine?
The canonical SMILES for N,N-dibutyl-6-nitropyridin-3-amine is CCCCN(CCCC)c1ccc([N+](=O)[O-])nc1.
What is the InChIKey of N,N-dibutyl-6-nitropyridin-3-amine?
The InChIKey is JIWITTQCYRNOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-5-9-15(10-6-4-2)12-7-8-13(14-11-12)16(17)18/h7-8,11H,3-6,9-10H2,1-2H3.
What are the key properties of N,N-dibutyl-6-nitropyridin-3-amine?
N,N-dibutyl-6-nitropyridin-3-amine has a molecular weight of 251.33 g/mol, XLogP of 3.40, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-6-nitropyridin-3-amine is sourced from PubChem (CID 164526082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).